Literature DB >> 23831439

One hundred thousand mouse clicks down the road: selected online resources supporting drug discovery collected over a decade.

Bruno O Villoutreix1, David Lagorce, Céline M Labbé, Olivier Sperandio, Maria A Miteva.   

Abstract

Online resources enabling and supporting drug discovery have blossomed during the past ten years. However, drug hunters commonly find themselves overwhelmed by the proliferation of these computer-based resources. Ten years ago, we, the authors of this review, felt that a comprehensive list of in silico resources relating to drug discovery was needed. Especially because the internet provides a wealth of inspiring tools that, if fully exploited, could greatly assist the process. We present here a compilation of online tools and databases collected over the past decade. The tools were essentially found through literature and internet searches and, currently, our list contains over 1500 URLs. We also briefly highlight some recently reported services and comment about ongoing and future efforts in the field.
Copyright © 2013 Elsevier Ltd. All rights reserved.

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Year:  2013        PMID: 23831439     DOI: 10.1016/j.drudis.2013.06.013

Source DB:  PubMed          Journal:  Drug Discov Today        ISSN: 1359-6446            Impact factor:   7.851


  21 in total

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Authors:  Changming Chen; Likui Yang; Bruno O Villoutreix; Xuefeng Wang; Qiulan Ding; Alireza R Rezaie
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2.  Repurposing of known drugs for leishmaniasis treatment using bioinformatic predictions, in vitro validations and pharmacokinetic simulations.

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Review 3.  Open source molecular modeling.

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Journal:  J Mol Graph Model       Date:  2016-07-30       Impact factor: 2.518

Review 4.  Drug repurposing in oncology--patient and health systems opportunities.

Authors:  Francesco Bertolini; Vikas P Sukhatme; Gauthier Bouche
Journal:  Nat Rev Clin Oncol       Date:  2015-10-20       Impact factor: 66.675

5.  ACFIS: a web server for fragment-based drug discovery.

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Journal:  Nucleic Acids Res       Date:  2016-05-05       Impact factor: 16.971

6.  Considerations of Protein Subpockets in Fragment-Based Drug Design.

Authors:  Matthew Bartolowits; V Jo Davisson
Journal:  Chem Biol Drug Des       Date:  2015-08-31       Impact factor: 2.817

7.  Bigger data, collaborative tools and the future of predictive drug discovery.

Authors:  Sean Ekins; Alex M Clark; S Joshua Swamidass; Nadia Litterman; Antony J Williams
Journal:  J Comput Aided Mol Des       Date:  2014-06-19       Impact factor: 3.686

8.  Parallel worlds of public and commercial bioactive chemistry data.

Authors:  Christopher A Lipinski; Nadia K Litterman; Christopher Southan; Antony J Williams; Alex M Clark; Sean Ekins
Journal:  J Med Chem       Date:  2014-12-04       Impact factor: 7.446

9.  FAF-Drugs3: a web server for compound property calculation and chemical library design.

Authors:  David Lagorce; Olivier Sperandio; Jonathan B Baell; Maria A Miteva; Bruno O Villoutreix
Journal:  Nucleic Acids Res       Date:  2015-04-16       Impact factor: 16.971

10.  Progress on open chemoinformatic tools for expanding and exploring the chemical space.

Authors:  José L Medina-Franco; Norberto Sánchez-Cruz; Edgar López-López; Bárbara I Díaz-Eufracio
Journal:  J Comput Aided Mol Des       Date:  2021-06-18       Impact factor: 4.179

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